F632-0157 Screening compound: 1-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide

F632-0157 Screening compound: 1-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
F632-0157 Screening compound: 1-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F632-0157
1-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

F632-0157

Molecular Formula

C21H20F3N3O5S (C21 H20 F3 N3 O5 S)

Compound Name

1-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide

IUPAC name

1-[(6-methyl-3-oxo-34-dihydro-2H-14-benzoxazin-7-yl)sulfonyl]-N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide

SMILES

Cc(cc(c(OC1)c2)NC1=O)c2S(N(CCC1)C1C(Nc1ccc(C(F)(F)F)cc1)=O)(=O)=O

InChI

InChI=1S/C21H20F3N3O5S/c1-12-9-15-17(32-11-19(28)26-15)10-18(12)33(30,31)27-8-2-3-16(27)20(29)25-14-6-4-13(5-7-14)21(22,23)24/h4-7,9-10,16H,2-3,8,11H2,1H3,(H,25,29)(H,26,28)/t16-/m0/s1

InChI Key

WTQCPKCRBAJHIT-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27180395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.529

Distribution Coefficient, logD

2.529

Water Solubility, LogSw

-2.99

Polar Surface Area

89.148

Acid Dissociation Constant (pKa)

10.30

Base Dissociation Constant (pKb)

-2.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

F632-0157 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Anti-HIV1 Library (19540 compounds)

New Agro Library (44492 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F632-0157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F632-0157?
Check Price and Availability of F632-0157, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F632-0157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F632-0157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F632-0157
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of F632-0157 available by request